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Chemical ID: 7460742
Chemical ID:
7460742
Name [?]:
4-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-3-amine
SMILES [?]:
COc1ccc(cc1OC)c2c([nH]nc2N)c3ccccc3
InChi [?]:
InChI=1/C17H17N3O2/c1-21-13-9-8-12(10-14(13)22-2)15-16(19-20-17(15)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,22,5,4,7,17,6,3,8,11,12,15,16,13,14,2,9/E:(4,5)(6,7)/rA:22nCOCCCCCCOCCCNNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s15;s12;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O2 |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.98533 |
Area: | 485.599 |
Solvation: | -5.15464 |
Coulombic: | -42.5793 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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